SCHEMBL6802212

SCHEMBL6802212

O=[N+]([O-])c1cccnc1Nc1cccc(C=Cc2ccccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
MAPT P10636 7/20 0.58
NPC1 O15118 7/20 0.58
ALDH1A1 P00352 4/20 0.58
TLR4 O00206 3/20 0.53
TLR2 O60603 3/20 0.53
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KCNH2 Q12809 1/20 0.43
RHOA P61586 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LCK P06239 1/20 0.41
LYN P07948 1/20 0.41
SRC P12931 1/20 0.41
CSK P41240 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6802207 1.00 RAB9A (0.58) RAB9AMAPTNPC1ALDH1A1TLR4
SCHEMBL6796960 0.92 TLR4 (0.53) RAB9AMAPTNPC1ALDH1A1TLR4
SCHEMBL6796952 0.92 TLR4 (0.53) RAB9AMAPTNPC1ALDH1A1TLR4
SCHEMBL6798711 0.87 TLR4 (0.51) RAB9AMAPTNPC1ALDH1A1TLR4
SCHEMBL6798714 0.87 TLR4 (0.51) RAB9AMAPTNPC1ALDH1A1TLR4
SCHEMBL6803873 0.86 TLR4 (0.48) RAB9AMAPTNPC1ALDH1A1TLR4
SCHEMBL6803869 0.86 TLR4 (0.48) RAB9AMAPTNPC1ALDH1A1TLR4
SCHEMBL6958808 0.86 NPC1 (0.56) RAB9AMAPTNPC1ALDH1A1TLR4
SCHEMBL6958813 0.86 NPC1 (0.56) RAB9AMAPTNPC1ALDH1A1TLR4
SCHEMBL6794718 0.86 TLR4 (0.57) RAB9AMAPTNPC1ALDH1A1TLR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 RAB9A 1092/4885MAPT 4677/4885NPC1 875/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.